Pavel Jungwirth

All publications

Latest publications

Experimental evidence of quantum Drude oscillator behavior in liquids revealed with probabilistic iterative Boltzmann inversion

B. L. Shanks H. W. Sullivan P. Jungwirth M. P. Hoepfner

Journal of Chemical Physics 162 (16): 164501 (2025)

Ion pairing in aqueous tetramethylammonium–acetate solutions by neutron scattering and molecular dynamics simulations

N. L. Le Nguyen O. Ticháček P. Jungwirth H. Martinez-Seara P. E. Mason E. Duboué-Dijon

Physical Chemistry Chemical Physics 27 (5): 2553-2562 (2025)

Can calmodulin bind to lipids of the cytosolic leaflet of plasma membranes?

F. Scollo C. Tempra H. Evci M. Riopedre Fernández A. Olżyńska M. Javanainen A. Uday M. Cebecauer L. Cwiklik H. Martinez-Seara P. Jungwirth P. Jurkiewicz M. Hof

Open Biology 14 (9): 240067 (2024)

Effective Inclusion of Electronic Polarization Improves the Description of Electrostatic Interactions: The prosECCo75 Biomolecular Force Field

R. Nencini C. Tempra D. Biriukov M. Riopedre Fernández V. Cruces Chamorro J. Polák P. E. Mason D. Ondo J. Heyda O. H. S. Ollila P. Jungwirth M. A. Javanainen H. Martinez-Seara

Journal of Chemical Theory and Computation 20 (17): 7546–7559 (2024)